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	hartrees
Energy at 0K	-708.301985
Energy at 298.15K	-708.303994
HF Energy	-708.301985
Nuclear repulsion energy	197.450906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1181	1068	116.58
2	A'	766	693	292.87
3	A'	628	568	58.53
4	A'	473	427	1.80
5	A"	1338	1210	316.62
6	A"	423	382	19.50

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.322	0.157	0.000
F2	-1.179	0.792	0.000
O3	0.322	-0.613	1.192
O4	0.322	-0.613	-1.192

	Cl1	F2	O3	O4
Cl1		1.6289	1.4187	1.4187
F2	1.6289		2.3755	2.3755
O3	1.4187	2.3755		2.3831
O4	1.4187	2.3755	2.3831

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	102.201		F2	Cl1	O4	102.201
O3	Cl1	O4	114.252

All results from a given calculation for ClO₂F (Chloryl fluoride)

using model chemistry: HF/6-31+G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	Cl	1.595
2	F	-0.411
3	O	-0.592
4	O	-0.592

	x	y	z	Total
	1.428	1.882	0.000	2.362
CHELPG
AIM
ESP

	x	y	z
x	3.128	-0.721	0.000
y	-0.721	3.020	0.000
z	0.000	0.000	4.048

<r²>	69.006
(<r²>)^1/2	8.307

All results from a given calculation for ClO2F (Chloryl fluoride)

using model chemistry: HF/6-31+G**

States and conformations

All results from a given calculation for ClO₂F (Chloryl fluoride)